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Tb(PmIn)2

Alexandria ALEX

Alex-ID: agm013768481 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
Tb(PmIn)2
Alex-ID
agm013768481
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
150.27
ų
Cell a
6.0735
Å
Cell b
6.0735
Å
Cell c
6.0735
Å
α angle
131.40
°
β angle
109.25
°
γ angle
90.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(PmIn)2
Tb
1.00 · 20.0%
Pm
2.00 · 40.0%
In
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0325
eV/atom
Formation energy
-0.3695
eV/atom
Corrected total energy
-21.5205
eV
Raw total energy
-21.5205
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.7259
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_388_spg12

Decomposition

Pm5In3 PmIn Tb2In

Computed at

2025-04-15 18:09:13

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013768481).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX 
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm013768481
data_agm013768481
_cell_length_a     6.07349
_cell_length_b     6.07349
_cell_length_c     6.07349
_cell_angle_alpha  131.40466
_cell_angle_beta   109.25251
_cell_angle_gamma  90.50965
_cell_volume       150.27077
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Tb1 Tb 0.00000 0.00000 0.00000 1.00000
  Pm1 Pm 0.69374 0.19374 0.50000 1.00000
  Pm2 Pm 0.30626 0.80626 0.50000 1.00000
  In1 In 0.71098 0.50000 0.21098 1.00000
  In2 In 0.28902 0.50000 0.78902 1.00000
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